7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C18H17FN2O4S — CID 171385291

IUPAC7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C1OCC2CN(S(=O)(=O)c3ccc(-c4cccc(F)c4)cc3)CCN12
InChIInChI=1S/C18H17FN2O4S/c19-15-3-1-2-14(10-15)13-4-6-17(7-5-13)26(23,24)20-8-9-21-16(11-20)12-25-18(21)22/h1-7,10,16H,8-9,11-12H2
InChIKeyYSCXOMKIWDEUND-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.32
Rot. Bonds3

About 7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 171385291) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID171385291
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C1OCC2CN(S(=O)(=O)c3ccc(-c4cccc(F)c4)cc3)CCN12
InChIInChI=1S/C18H17FN2O4S/c19-15-3-1-2-14(10-15)13-4-6-17(7-5-13)26(23,24)20-8-9-21-16(11-20)12-25-18(21)22/h1-7,10,16H,8-9,11-12H2
InChIKeyYSCXOMKIWDEUND-UHFFFAOYSA-N
XLogP2.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(14aS)-2-(4-fluorophenyl)sulfonyl-10-pyridin-3-yl-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonin-7-one
CID 138990381
(7S,8aR)-2-(4-fluorophenyl)sulfonyl-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10852583
(7R,8aR)-2-(4-fluorophenyl)sulfonyl-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10495308
(4aR,8aS)-1-methyl-7-(4-phenylphenyl)sulfonyl-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazin-2-one
CID 155901554
2-[1-[4-(3-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121178887
(4S,9aR)-4-cyclopropyl-8-(4-phenylphenyl)sulfonyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155918414
5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 45498643
5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 51613793
1-cyclobutyl-4-[1-[4-(3-fluorophenyl)phenyl]sulfonyl-3-methylimidazolidin-2-yl]piperazine
CID 166978199
(14aS)-2-(3-chlorophenyl)sulfonyl-10-phenyl-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonin-7-one
CID 138990189
7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131902416
7-[3-(3-methylphenyl)benzoyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131929939

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 171385291) is 7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C1OCC2CN(S(=O)(=O)c3ccc(-c4cccc(F)c4)cc3)CCN12.
What is the InChIKey of 7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is YSCXOMKIWDEUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c19-15-3-1-2-14(10-15)13-4-6-17(7-5-13)26(23,24)20-8-9-21-16(11-20)12-25-18(21)22/h1-7,10,16H,8-9,11-12H2.
What are the key properties of 7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 376.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-fluorophenyl)phenyl]sulfonyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 171385291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).